N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine

C17H37N3 — CID 62512940

IUPACN,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine
SMILESCC(C)CNCC1CCN(C(CC(C)C)CN(C)C)C1
InChIInChI=1S/C17H37N3/c1-14(2)9-17(13-19(5)6)20-8-7-16(12-20)11-18-10-15(3)4/h14-18H,7-13H2,1-6H3
InChIKeyUPLSLWQQCODXLA-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.53
Rot. Bonds9

About N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine

N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine (PubChem CID 62512940) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine
PubChem CID62512940
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine
SMILESCC(C)CNCC1CCN(C(CC(C)C)CN(C)C)C1
InChIInChI=1S/C17H37N3/c1-14(2)9-17(13-19(5)6)20-8-7-16(12-20)11-18-10-15(3)4/h14-18H,7-13H2,1-6H3
InChIKeyUPLSLWQQCODXLA-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114868388
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442
N,N-dimethyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 55257019
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511796
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848440
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine?
The IUPAC name of N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine (CID 62512940) is N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine?
The canonical SMILES for N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine is CC(C)CNCC1CCN(C(CC(C)C)CN(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine?
The InChIKey is UPLSLWQQCODXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2)9-17(13-19(5)6)20-8-7-16(12-20)11-18-10-15(3)4/h14-18H,7-13H2,1-6H3.
What are the key properties of N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine?
N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine is sourced from PubChem (CID 62512940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).