N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine

C13H28N2 — CID 106603768

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
SMILESCCCCCN(CCC)CC1CCCN1
InChIInChI=1S/C13H28N2/c1-3-5-6-11-15(10-4-2)12-13-8-7-9-14-13/h13-14H,3-12H2,1-2H3
InChIKeyIHYVOUSIELFCFG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds8

About N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine (PubChem CID 106603768) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
PubChem CID106603768
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
SMILESCCCCCN(CCC)CC1CCCN1
InChIInChI=1S/C13H28N2/c1-3-5-6-11-15(10-4-2)12-13-8-7-9-14-13/h13-14H,3-12H2,1-2H3
InChIKeyIHYVOUSIELFCFG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 106616669
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106635862

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine (CID 106603768) is N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine is CCCCCN(CCC)CC1CCCN1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
The InChIKey is IHYVOUSIELFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-11-15(10-4-2)12-13-8-7-9-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 106603768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).