2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

C15H30N2O — CID 63656737

IUPAC2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)CC1CCCC1
InChIInChI=1S/C15H30N2O/c1-13(10-16-11-15-8-5-9-18-15)17(2)12-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3
InChIKeyJRPLXPNXSNDSKP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

About 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 63656737) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID63656737
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)CC1CCCC1
InChIInChI=1S/C15H30N2O/c1-13(10-16-11-15-8-5-9-18-15)17(2)12-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3
InChIKeyJRPLXPNXSNDSKP-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 63656737) is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CC(CNCC1CCCO1)N(C)CC1CCCC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is JRPLXPNXSNDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(10-16-11-15-8-5-9-18-15)17(2)12-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 63656737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).