2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine

C16H35N3 — CID 62885740

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCCC1CN(C)C
InChIInChI=1S/C16H35N3/c1-6-14(3)11-16(7-2,13-17)19-10-8-9-15(19)12-18(4)5/h14-15H,6-13,17H2,1-5H3
InChIKeyBTCJMAYXPYWJNZ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds8

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine (PubChem CID 62885740) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
PubChem CID62885740
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCCC1CN(C)C
InChIInChI=1S/C16H35N3/c1-6-14(3)11-16(7-2,13-17)19-10-8-9-15(19)12-18(4)5/h14-15H,6-13,17H2,1-5H3
InChIKeyBTCJMAYXPYWJNZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-1-amine
CID 79008804
2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
CID 55248237
2-ethyl-2-(2-ethylpiperidin-1-yl)butan-1-amine
CID 43266390
2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
CID 62368087
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62886088
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
CID 62889896
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylnonan-1-amine
CID 62885069
2-(2,5-dimethylmorpholin-4-yl)-2-ethyl-4-methylhexan-1-amine
CID 43544414
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine (CID 62885740) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The InChIKey is BTCJMAYXPYWJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-14(3)11-16(7-2,13-17)19-10-8-9-15(19)12-18(4)5/h14-15H,6-13,17H2,1-5H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 62885740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).