N-butyl-N-but-3-ynylcyclopropanamine

C11H19N — CID 63655614

IUPACN-butyl-N-but-3-ynylcyclopropanamine
SMILESC#CCCN(CCCC)C1CC1
InChIInChI=1S/C11H19N/c1-3-5-9-12(10-6-4-2)11-7-8-11/h1,11H,4-10H2,2H3
InChIKeyMMWMICNVHCOFLP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds6

About N-butyl-N-but-3-ynylcyclopropanamine

N-butyl-N-but-3-ynylcyclopropanamine (PubChem CID 63655614) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-butyl-N-but-3-ynylcyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-but-3-ynylcyclopropanamine
PubChem CID63655614
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-butyl-N-but-3-ynylcyclopropanamine
SMILESC#CCCN(CCCC)C1CC1
InChIInChI=1S/C11H19N/c1-3-5-9-12(10-6-4-2)11-7-8-11/h1,11H,4-10H2,2H3
InChIKeyMMWMICNVHCOFLP-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
N-butyl-N-propylcyclohexanamine
CID 15751893
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
N-but-3-ynyl-N-phosphanylbutan-1-amine
CID 155359519
4-[butyl(cyclopropyl)amino]butanethioamide
CID 61441835
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N-butyl-N-(3-piperidin-4-ylpropyl)cyclopropanamine
CID 62212523
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-but-3-ynylcyclopropanamine?
The IUPAC name of N-butyl-N-but-3-ynylcyclopropanamine (CID 63655614) is N-butyl-N-but-3-ynylcyclopropanamine.
What is the SMILES notation for N-butyl-N-but-3-ynylcyclopropanamine?
The canonical SMILES for N-butyl-N-but-3-ynylcyclopropanamine is C#CCCN(CCCC)C1CC1.
What is the InChIKey of N-butyl-N-but-3-ynylcyclopropanamine?
The InChIKey is MMWMICNVHCOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-9-12(10-6-4-2)11-7-8-11/h1,11H,4-10H2,2H3.
What are the key properties of N-butyl-N-but-3-ynylcyclopropanamine?
N-butyl-N-but-3-ynylcyclopropanamine has a molecular weight of 165.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-but-3-ynylcyclopropanamine is sourced from PubChem (CID 63655614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).