N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine

C9H21N3 — CID 168978002

IUPACN-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine
SMILESCCN(N)CC(C)NC1CCC1
InChIInChI=1S/C9H21N3/c1-3-12(10)7-8(2)11-9-5-4-6-9/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFCJFRBLKWHVDJK-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.71
Rot. Bonds5

About N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine

N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine (PubChem CID 168978002) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine
PubChem CID168978002
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine
SMILESCCN(N)CC(C)NC1CCC1
InChIInChI=1S/C9H21N3/c1-3-12(10)7-8(2)11-9-5-4-6-9/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFCJFRBLKWHVDJK-UHFFFAOYSA-N
XLogP0.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine?
The IUPAC name of N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine (CID 168978002) is N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine.
What is the SMILES notation for N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine?
The canonical SMILES for N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine is CCN(N)CC(C)NC1CCC1.
What is the InChIKey of N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine?
The InChIKey is FCJFRBLKWHVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-3-12(10)7-8(2)11-9-5-4-6-9/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine?
N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine has a molecular weight of 171.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[amino(ethyl)amino]propan-2-yl]cyclobutanamine is sourced from PubChem (CID 168978002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).