N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine

C12H26N2 — CID 59904541

IUPACN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C[C@@H]1CCCN1C)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-7-6-8-13(12)5/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyFMHVDRFBAHCBAU-LBPRGKRZSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds4

About N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine

N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 59904541) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
PubChem CID59904541
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C[C@@H]1CCCN1C)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-7-6-8-13(12)5/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyFMHVDRFBAHCBAU-LBPRGKRZSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226117
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 163258007
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine (CID 59904541) is N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C[C@@H]1CCCN1C)C(C)C.
What is the InChIKey of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is FMHVDRFBAHCBAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-12-7-6-8-13(12)5/h10-12H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine?
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 59904541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).