2-[(heptan-2-ylamino)methyl]quinolin-4-amine

C17H25N3 — CID 115485806

IUPAC2-[(heptan-2-ylamino)methyl]quinolin-4-amine
SMILESCCCCCC(C)NCc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3/c1-3-4-5-8-13(2)19-12-14-11-16(18)15-9-6-7-10-17(15)20-14/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,18,20)
InChIKeyANQKVNNDUKQPBA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.88
Rot. Bonds7

About 2-[(heptan-2-ylamino)methyl]quinolin-4-amine

2-[(heptan-2-ylamino)methyl]quinolin-4-amine (PubChem CID 115485806) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(heptan-2-ylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(heptan-2-ylamino)methyl]quinolin-4-amine
PubChem CID115485806
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(heptan-2-ylamino)methyl]quinolin-4-amine
SMILESCCCCCC(C)NCc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3/c1-3-4-5-8-13(2)19-12-14-11-16(18)15-9-6-7-10-17(15)20-14/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,18,20)
InChIKeyANQKVNNDUKQPBA-UHFFFAOYSA-N
XLogP3.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pentylquinolin-4-amine
CID 14082309
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927
(2R)-N-benzylheptan-2-amine
CID 14923313
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
CID 115485916
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
CID 175093861
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
CID 115485727

Frequently Asked Questions

What is the IUPAC name of 2-[(heptan-2-ylamino)methyl]quinolin-4-amine?
The IUPAC name of 2-[(heptan-2-ylamino)methyl]quinolin-4-amine (CID 115485806) is 2-[(heptan-2-ylamino)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(heptan-2-ylamino)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(heptan-2-ylamino)methyl]quinolin-4-amine is CCCCCC(C)NCc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[(heptan-2-ylamino)methyl]quinolin-4-amine?
The InChIKey is ANQKVNNDUKQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-4-5-8-13(2)19-12-14-11-16(18)15-9-6-7-10-17(15)20-14/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(heptan-2-ylamino)methyl]quinolin-4-amine?
2-[(heptan-2-ylamino)methyl]quinolin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(heptan-2-ylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 115485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).