4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine

C16H27N3 — CID 105074326

IUPAC4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(c1cnccc1CNCC(C)C)C(C)C
InChIInChI=1S/C16H27N3/c1-6-9-19(14(4)5)16-12-17-8-7-15(16)11-18-10-13(2)3/h6-8,12-14,18H,1,9-11H2,2-5H3
InChIKeyDNEMFSWWAMTEFV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.23
Rot. Bonds8

About 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine

4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine (PubChem CID 105074326) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
PubChem CID105074326
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(c1cnccc1CNCC(C)C)C(C)C
InChIInChI=1S/C16H27N3/c1-6-9-19(14(4)5)16-12-17-8-7-15(16)11-18-10-13(2)3/h6-8,12-14,18H,1,9-11H2,2-5H3
InChIKeyDNEMFSWWAMTEFV-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
CID 83188795
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073335
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
N-methyl-N-(2-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073520
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 105390228
N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 81249699

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine (CID 105074326) is 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine is C=CCN(c1cnccc1CNCC(C)C)C(C)C.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine?
The InChIKey is DNEMFSWWAMTEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-9-19(14(4)5)16-12-17-8-7-15(16)11-18-10-13(2)3/h6-8,12-14,18H,1,9-11H2,2-5H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine?
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 105074326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).