2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine

C16H26N2 — CID 83154837

IUPAC2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
SMILESCCCNC(C(C)c1ccncc1)C(C)C1CC1
InChIInChI=1S/C16H26N2/c1-4-9-18-16(12(2)14-5-6-14)13(3)15-7-10-17-11-8-15/h7-8,10-14,16,18H,4-6,9H2,1-3H3
InChIKeyCCJHSQHXTCMSSC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.60
Rot. Bonds7

About 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine

2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine (PubChem CID 83154837) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
PubChem CID83154837
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
SMILESCCCNC(C(C)c1ccncc1)C(C)C1CC1
InChIInChI=1S/C16H26N2/c1-4-9-18-16(12(2)14-5-6-14)13(3)15-7-10-17-11-8-15/h7-8,10-14,16,18H,4-6,9H2,1-3H3
InChIKeyCCJHSQHXTCMSSC-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-propyl-3-pyridin-4-ylbutan-2-amine
CID 66447180
1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447178
1-cyclohexyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447175
1-cyclooctyl-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66447758
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The IUPAC name of 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine (CID 83154837) is 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine is CCCNC(C(C)c1ccncc1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
The InChIKey is CCJHSQHXTCMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-9-18-16(12(2)14-5-6-14)13(3)15-7-10-17-11-8-15/h7-8,10-14,16,18H,4-6,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine?
2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine is sourced from PubChem (CID 83154837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).