N'-cyclopropyl-N-decylpropane-1,3-diamine

C16H34N2 — CID 113410376

IUPACN'-cyclopropyl-N-decylpropane-1,3-diamine
SMILESCCCCCCCCCCNCCCNC1CC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-13-17-14-10-15-18-16-11-12-16/h16-18H,2-15H2,1H3
InChIKeyABTQNWPBCVYZBC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.86
Rot. Bonds14

About N'-cyclopropyl-N-decylpropane-1,3-diamine

N'-cyclopropyl-N-decylpropane-1,3-diamine (PubChem CID 113410376) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclopropyl-N-decylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-decylpropane-1,3-diamine
PubChem CID113410376
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclopropyl-N-decylpropane-1,3-diamine
SMILESCCCCCCCCCCNCCCNC1CC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-13-17-14-10-15-18-16-11-12-16/h16-18H,2-15H2,1H3
InChIKeyABTQNWPBCVYZBC-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-dodecylcyclohexanamine
CID 3679395
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-decylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-decylpropane-1,3-diamine (CID 113410376) is N'-cyclopropyl-N-decylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-decylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-decylpropane-1,3-diamine is CCCCCCCCCCNCCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-decylpropane-1,3-diamine?
The InChIKey is ABTQNWPBCVYZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-13-17-14-10-15-18-16-11-12-16/h16-18H,2-15H2,1H3.
What are the key properties of N'-cyclopropyl-N-decylpropane-1,3-diamine?
N'-cyclopropyl-N-decylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.86, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-decylpropane-1,3-diamine is sourced from PubChem (CID 113410376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).