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

C14H26N2 — CID 106616774

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CCCC)CC1CCCN1
InChIInChI=1S/C14H26N2/c1-4-7-11-16(14(5-2)6-3)12-13-9-8-10-15-13/h2,13-15H,4,6-12H2,1,3H3
InChIKeyYZCVEEYEDUSSDJ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds7

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

N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine (PubChem CID 106616774) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
PubChem CID106616774
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)N(CCCC)CC1CCCN1
InChIInChI=1S/C14H26N2/c1-4-7-11-16(14(5-2)6-3)12-13-9-8-10-15-13/h2,13-15H,4,6-12H2,1,3H3
InChIKeyYZCVEEYEDUSSDJ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
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-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine (CID 106616774) is N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine is C#CC(CC)N(CCCC)CC1CCCN1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
The InChIKey is YZCVEEYEDUSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-7-11-16(14(5-2)6-3)12-13-9-8-10-15-13/h2,13-15H,4,6-12H2,1,3H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine?
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine is sourced from PubChem (CID 106616774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).