4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide

C14H29N3O — CID 116653004

IUPAC4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN(C)C(CN)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-17(5-2)14(18)7-6-10-16(3)13(11-15)12-8-9-12/h12-13H,4-11,15H2,1-3H3
InChIKeyIFFBBAJNHSVUOS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds9

About 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide

4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide (PubChem CID 116653004) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
PubChem CID116653004
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN(C)C(CN)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-17(5-2)14(18)7-6-10-16(3)13(11-15)12-8-9-12/h12-13H,4-11,15H2,1-3H3
InChIKeyIFFBBAJNHSVUOS-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide?
The IUPAC name of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide (CID 116653004) is 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide?
The canonical SMILES for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCN(C)C(CN)C1CC1.
What is the InChIKey of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide?
The InChIKey is IFFBBAJNHSVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-17(5-2)14(18)7-6-10-16(3)13(11-15)12-8-9-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide?
4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide is sourced from PubChem (CID 116653004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).