N-butyl-N'-cyclopropylpropane-1,3-diamine

C10H22N2 — CID 61149641

IUPACN-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCCCCNCCCNC1CC1
InChIInChI=1S/C10H22N2/c1-2-3-7-11-8-4-9-12-10-5-6-10/h10-12H,2-9H2,1H3
InChIKeyOXDPXZIAGFPYPD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.52
Rot. Bonds8

About N-butyl-N'-cyclopropylpropane-1,3-diamine

N-butyl-N'-cyclopropylpropane-1,3-diamine (PubChem CID 61149641) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-butyl-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-N'-cyclopropylpropane-1,3-diamine
PubChem CID61149641
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCCCCNCCCNC1CC1
InChIInChI=1S/C10H22N2/c1-2-3-7-11-8-4-9-12-10-5-6-10/h10-12H,2-9H2,1H3
InChIKeyOXDPXZIAGFPYPD-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.52
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'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
3-[3-(cyclopropylamino)propylamino]propan-1-ol
CID 149151310
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
[4-(butylamino)cyclohexyl]methanol
CID 89339972
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of N-butyl-N'-cyclopropylpropane-1,3-diamine (CID 61149641) is N-butyl-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N-butyl-N'-cyclopropylpropane-1,3-diamine is CCCCNCCCNC1CC1.
What is the InChIKey of N-butyl-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is OXDPXZIAGFPYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-7-11-8-4-9-12-10-5-6-10/h10-12H,2-9H2,1H3.
What are the key properties of N-butyl-N'-cyclopropylpropane-1,3-diamine?
N-butyl-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 61149641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).