N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine

C14H24N2 — CID 106616352

IUPACN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H24N2/c1-3-14(4-2)16(10-12-7-8-12)11-13-6-5-9-15-13/h1,12-15H,4-11H2,2H3
InChIKeyFPLIYRZZJBFRSN-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine (PubChem CID 106616352) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
PubChem CID106616352
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C14H24N2/c1-3-14(4-2)16(10-12-7-8-12)11-13-6-5-9-15-13/h1,12-15H,4-11H2,2H3
InChIKeyFPLIYRZZJBFRSN-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604534

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine (CID 106616352) is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine is C#CC(CC)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The InChIKey is FPLIYRZZJBFRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-14(4-2)16(10-12-7-8-12)11-13-6-5-9-15-13/h1,12-15H,4-11H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine has a molecular weight of 220.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine is sourced from PubChem (CID 106616352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).