N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine

C17H25N3 — CID 83127735

IUPACN-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC1CC1)c1ccc(C(C)NCCC)nc1
InChIInChI=1S/C17H25N3/c1-4-10-18-14(3)17-9-8-16(12-19-17)20(11-5-2)13-15-6-7-15/h2,8-9,12,14-15,18H,4,6-7,10-11,13H2,1,3H3
InChIKeyMGCFXWMEHGPTQW-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds8

About N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine

N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine (PubChem CID 83127735) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
PubChem CID83127735
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC1CC1)c1ccc(C(C)NCCC)nc1
InChIInChI=1S/C17H25N3/c1-4-10-18-14(3)17-9-8-16(12-19-17)20(11-5-2)13-15-6-7-15/h2,8-9,12,14-15,18H,4,6-7,10-11,13H2,1,3H3
InChIKeyMGCFXWMEHGPTQW-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154
6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
CID 83127891
6-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propylpyridin-3-amine
CID 83122583
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
CID 83132171
3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
CID 83122845
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
2-[cyclopropyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]ethanol
CID 83122512
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine (CID 83127735) is N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine is C#CCN(CC1CC1)c1ccc(C(C)NCCC)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine?
The InChIKey is MGCFXWMEHGPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-14(3)17-9-8-16(12-19-17)20(11-5-2)13-15-6-7-15/h2,8-9,12,14-15,18H,4,6-7,10-11,13H2,1,3H3.
What are the key properties of N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine?
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 83127735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).