N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

C12H26N2 — CID 106603221

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCCC(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C12H26N2/c1-5-11(4)14(10(2)3)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3
InChIKeyQSRSJQADZPYDFE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds5

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (PubChem CID 106603221) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
PubChem CID106603221
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCCC(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C12H26N2/c1-5-11(4)14(10(2)3)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3
InChIKeyQSRSJQADZPYDFE-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602818
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106602941
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (CID 106603221) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is CCC(C)N(CC1CCCN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The InChIKey is QSRSJQADZPYDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(4)14(10(2)3)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106603221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).