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

C11H27N3 — CID 87639908

IUPACN,N-bis(diethylamino)propan-1-amine
SMILESCCCN(N(CC)CC)N(CC)CC
InChIInChI=1S/C11H27N3/c1-6-11-14(12(7-2)8-3)13(9-4)10-5/h6-11H2,1-5H3
InChIKeyKQLXVVZBLQJFTL-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.21
Rot. Bonds8

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

N,N-bis(diethylamino)propan-1-amine (PubChem CID 87639908) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,N-bis(diethylamino)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(diethylamino)propan-1-amine
PubChem CID87639908
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,N-bis(diethylamino)propan-1-amine
SMILESCCCN(N(CC)CC)N(CC)CC
InChIInChI=1S/C11H27N3/c1-6-11-14(12(7-2)8-3)13(9-4)10-5/h6-11H2,1-5H3
InChIKeyKQLXVVZBLQJFTL-UHFFFAOYSA-N
XLogP2.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
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(diethylamino)propan-1-amine?
The IUPAC name of N,N-bis(diethylamino)propan-1-amine (CID 87639908) is N,N-bis(diethylamino)propan-1-amine.
What is the SMILES notation for N,N-bis(diethylamino)propan-1-amine?
The canonical SMILES for N,N-bis(diethylamino)propan-1-amine is CCCN(N(CC)CC)N(CC)CC.
What is the InChIKey of N,N-bis(diethylamino)propan-1-amine?
The InChIKey is KQLXVVZBLQJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-6-11-14(12(7-2)8-3)13(9-4)10-5/h6-11H2,1-5H3.
What are the key properties of N,N-bis(diethylamino)propan-1-amine?
N,N-bis(diethylamino)propan-1-amine has a molecular weight of 201.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diethylamino)propan-1-amine is sourced from PubChem (CID 87639908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).