N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine

C16H32N2 — CID 112743402

IUPACN-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
SMILESCC(C)C(C(C)C)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H32N2/c1-12(2)16(13(3)4)18(10-14-7-8-14)11-15-6-5-9-17-15/h12-17H,5-11H2,1-4H3
InChIKeyOORQXXKDHPWCEF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds7

About N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine

N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine (PubChem CID 112743402) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
PubChem CID112743402
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
SMILESCC(C)C(C(C)C)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H32N2/c1-12(2)16(13(3)4)18(10-14-7-8-14)11-15-6-5-9-17-15/h12-17H,5-11H2,1-4H3
InChIKeyOORQXXKDHPWCEF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine (CID 112743402) is N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine is CC(C)C(C(C)C)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine?
The InChIKey is OORQXXKDHPWCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)16(13(3)4)18(10-14-7-8-14)11-15-6-5-9-17-15/h12-17H,5-11H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine?
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 112743402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).