N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide

C17H31N3O — CID 79536954

IUPACN-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
SMILESO=C(CCCNC1CCCCC1C1CCCN1)NC1CC1
InChIInChI=1S/C17H31N3O/c21-17(20-13-9-10-13)8-4-12-19-15-6-2-1-5-14(15)16-7-3-11-18-16/h13-16,18-19H,1-12H2,(H,20,21)
InChIKeyAPCSDNMNVLNTNH-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.95
Rot. Bonds7

About N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide

N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide (PubChem CID 79536954) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
PubChem CID79536954
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
SMILESO=C(CCCNC1CCCCC1C1CCCN1)NC1CC1
InChIInChI=1S/C17H31N3O/c21-17(20-13-9-10-13)8-4-12-19-15-6-2-1-5-14(15)16-7-3-11-18-16/h13-16,18-19H,1-12H2,(H,20,21)
InChIKeyAPCSDNMNVLNTNH-UHFFFAOYSA-N
XLogP1.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(2-piperidin-2-ylcyclopentyl)amino]propanamide
CID 79545104
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
CID 79541683
N-propyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propanamide
CID 79548705
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546596
N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide
CID 79544355
N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
N-[3-(2-methoxyethoxy)propyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541663
2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate
CID 83210601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide (CID 79536954) is N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide is O=C(CCCNC1CCCCC1C1CCCN1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide?
The InChIKey is APCSDNMNVLNTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(20-13-9-10-13)8-4-12-19-15-6-2-1-5-14(15)16-7-3-11-18-16/h13-16,18-19H,1-12H2,(H,20,21).
What are the key properties of N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide?
N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide has a molecular weight of 293.45 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide is sourced from PubChem (CID 79536954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).