N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine

C16H30N4 — CID 81247572

IUPACN,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-13(2)17-11-15-12-18-14(3)10-16(15)20(6)9-7-8-19(4)5/h10,12-13,17H,7-9,11H2,1-6H3
InChIKeyAVRICXBDUYVTDO-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.28
Rot. Bonds8

About N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine (PubChem CID 81247572) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
PubChem CID81247572
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)C)c(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-13(2)17-11-15-12-18-14(3)10-16(15)20(6)9-7-8-19(4)5/h10,12-13,17H,7-9,11H2,1-6H3
InChIKeyAVRICXBDUYVTDO-UHFFFAOYSA-N
XLogP2.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine with MolForge

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Related Compounds

N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249829
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246806
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248386
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
N'-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 114851411
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247464
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81250071

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine (CID 81247572) is N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine is Cc1cc(N(C)CCCN(C)C)c(CNC(C)C)cn1.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine?
The InChIKey is AVRICXBDUYVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(2)17-11-15-12-18-14(3)10-16(15)20(6)9-7-8-19(4)5/h10,12-13,17H,7-9,11H2,1-6H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 81247572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).