N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

C17H34N2 — CID 106604476

IUPACN-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C17H34N2/c1-4-14(3)11-17(5-2)19(12-15-8-9-15)13-16-7-6-10-18-16/h14-18H,4-13H2,1-3H3
InChIKeyPTKKUCACUOLEKB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds9

About N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (PubChem CID 106604476) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
PubChem CID106604476
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C17H34N2/c1-4-14(3)11-17(5-2)19(12-15-8-9-15)13-16-7-6-10-18-16/h14-18H,4-13H2,1-3H3
InChIKeyPTKKUCACUOLEKB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
CID 79716038
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 114079715
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (CID 106604476) is N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is CCC(C)CC(CC)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The InChIKey is PTKKUCACUOLEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-14(3)11-17(5-2)19(12-15-8-9-15)13-16-7-6-10-18-16/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is sourced from PubChem (CID 106604476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).