N'-cyclopropylpropane-1,3-diamine

C6H14N2 — CID 44784906

IUPACN'-cyclopropylpropane-1,3-diamine
SMILESNCCCNC1CC1
InChIInChI=1S/C6H14N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-5,7H2
InChIKeyMYPKLHRVWALHHI-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds4

About N'-cyclopropylpropane-1,3-diamine

N'-cyclopropylpropane-1,3-diamine (PubChem CID 44784906) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropylpropane-1,3-diamine
PubChem CID44784906
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-cyclopropylpropane-1,3-diamine
SMILESNCCCNC1CC1
InChIInChI=1S/C6H14N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-5,7H2
InChIKeyMYPKLHRVWALHHI-UHFFFAOYSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.09
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropylpropane-1,3-diamine (CID 44784906) is N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropylpropane-1,3-diamine is NCCCNC1CC1.
What is the InChIKey of N'-cyclopropylpropane-1,3-diamine?
The InChIKey is MYPKLHRVWALHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-5,7H2.
What are the key properties of N'-cyclopropylpropane-1,3-diamine?
N'-cyclopropylpropane-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 44784906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).