N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H29N3 — CID 80629582

IUPACN-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCC(C)N(C)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C16H29N3/c1-7-14(5)19(6)16-13(4)8-15(11-18-16)10-17-9-12(2)3/h8,11-12,14,17H,7,9-10H2,1-6H3
InChIKeyZMAXSCSLERGTNX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.37
Rot. Bonds7

About N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 80629582) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID80629582
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCC(C)N(C)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C16H29N3/c1-7-14(5)19(6)16-13(4)8-15(11-18-16)10-17-9-12(2)3/h8,11-12,14,17H,7,9-10H2,1-6H3
InChIKeyZMAXSCSLERGTNX-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol
CID 80628806
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 80629582) is N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CCC(C)N(C)c1ncc(CNCC(C)C)cc1C.
What is the InChIKey of N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is ZMAXSCSLERGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-14(5)19(6)16-13(4)8-15(11-18-16)10-17-9-12(2)3/h8,11-12,14,17H,7,9-10H2,1-6H3.
What are the key properties of N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80629582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).