N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine

C14H30N2 — CID 63715356

IUPACN-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1CNCC1C
InChIInChI=1S/C14H30N2/c1-4-6-8-16(9-7-5-2)12-14-11-15-10-13(14)3/h13-15H,4-12H2,1-3H3
InChIKeyUYYAXQINXLDABE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds8

About N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine

N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine (PubChem CID 63715356) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine
PubChem CID63715356
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1CNCC1C
InChIInChI=1S/C14H30N2/c1-4-6-8-16(9-7-5-2)12-14-11-15-10-13(14)3/h13-15H,4-12H2,1-3H3
InChIKeyUYYAXQINXLDABE-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 63716197
(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662
N-(2-methoxyethyl)-2-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63715867
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
CID 145095631
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
5-[(dibutylamino)methyl]pyrrolidin-3-ol
CID 66056350
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
CID 144770393
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
CID 114085144

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine (CID 63715356) is N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine is CCCCN(CCCC)CC1CNCC1C.
What is the InChIKey of N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine?
The InChIKey is UYYAXQINXLDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-8-16(9-7-5-2)12-14-11-15-10-13(14)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine?
N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 63715356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).