N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine

C14H28N2 — CID 143282779

IUPACN-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine
SMILESC=C1NCCC1CN(CCC)CCCCC
InChIInChI=1S/C14H28N2/c1-4-6-7-11-16(10-5-2)12-14-8-9-15-13(14)3/h14-15H,3-12H2,1-2H3
InChIKeyUWAQYTZLQMIHHL-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.01
Rot. Bonds8

About N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine

N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine (PubChem CID 143282779) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound NameN-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine
PubChem CID143282779
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine
SMILESC=C1NCCC1CN(CCC)CCCCC
InChIInChI=1S/C14H28N2/c1-4-6-7-11-16(10-5-2)12-14-8-9-15-13(14)3/h14-15H,3-12H2,1-2H3
InChIKeyUWAQYTZLQMIHHL-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.01
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-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 107068950
2-methylidene-3-(2-methylpropyl)pyrrolidine
CID 167213849
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
(3R)-2-methylidenepyrrolidin-3-amine
CID 153158082

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine (CID 143282779) is N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine is C=C1NCCC1CN(CCC)CCCCC.
What is the InChIKey of N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is UWAQYTZLQMIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-7-11-16(10-5-2)12-14-8-9-15-13(14)3/h14-15H,3-12H2,1-2H3.
What are the key properties of N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine?
N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylidenepyrrolidin-3-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 143282779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).