N,N-bis(methylamino)propan-1-amine

C5H15N3 — CID 56982963

IUPACN,N-bis(methylamino)propan-1-amine
SMILESCCCN(NC)NC
InChIInChI=1S/C5H15N3/c1-4-5-8(6-2)7-3/h6-7H,4-5H2,1-3H3
InChIKeySWVGZFQJXVPIKM-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.03
Rot. Bonds4

About N,N-bis(methylamino)propan-1-amine

N,N-bis(methylamino)propan-1-amine (PubChem CID 56982963) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is N,N-bis(methylamino)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(methylamino)propan-1-amine
PubChem CID56982963
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC NameN,N-bis(methylamino)propan-1-amine
SMILESCCCN(NC)NC
InChIInChI=1S/C5H15N3/c1-4-5-8(6-2)7-3/h6-7H,4-5H2,1-3H3
InChIKeySWVGZFQJXVPIKM-UHFFFAOYSA-N
XLogP-0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylamino)propan-1-amine?
The IUPAC name of N,N-bis(methylamino)propan-1-amine (CID 56982963) is N,N-bis(methylamino)propan-1-amine.
What is the SMILES notation for N,N-bis(methylamino)propan-1-amine?
The canonical SMILES for N,N-bis(methylamino)propan-1-amine is CCCN(NC)NC.
What is the InChIKey of N,N-bis(methylamino)propan-1-amine?
The InChIKey is SWVGZFQJXVPIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-4-5-8(6-2)7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-bis(methylamino)propan-1-amine?
N,N-bis(methylamino)propan-1-amine has a molecular weight of 117.20 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)propan-1-amine is sourced from PubChem (CID 56982963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).