3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine

C15H30N2 — CID 141153254

IUPAC3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine
SMILESCC(C1CC1)C(CCN)(CCN)C(C)C1CC1
InChIInChI=1S/C15H30N2/c1-11(13-3-4-13)15(7-9-16,8-10-17)12(2)14-5-6-14/h11-14H,3-10,16-17H2,1-2H3
InChIKeyHHNPLEQJSOERBT-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.76
Rot. Bonds8

About 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine

3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine (PubChem CID 141153254) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine.

Molecular Properties

Compound Name3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine
PubChem CID141153254
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine
SMILESCC(C1CC1)C(CCN)(CCN)C(C)C1CC1
InChIInChI=1S/C15H30N2/c1-11(13-3-4-13)15(7-9-16,8-10-17)12(2)14-5-6-14/h11-14H,3-10,16-17H2,1-2H3
InChIKeyHHNPLEQJSOERBT-UHFFFAOYSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine?
The IUPAC name of 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine (CID 141153254) is 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine.
What is the SMILES notation for 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine?
The canonical SMILES for 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine is CC(C1CC1)C(CCN)(CCN)C(C)C1CC1.
What is the InChIKey of 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine?
The InChIKey is HHNPLEQJSOERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(13-3-4-13)15(7-9-16,8-10-17)12(2)14-5-6-14/h11-14H,3-10,16-17H2,1-2H3.
What are the key properties of 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine?
3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1-cyclopropylethyl)pentane-1,5-diamine is sourced from PubChem (CID 141153254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).