3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide

C14H31N3O — CID 81070103

IUPAC3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-13(10-15)9-14(18)16-7-8-17(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyGUKDHPQLGCYYQZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds9

About 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide

3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide (PubChem CID 81070103) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
PubChem CID81070103
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
SMILESCCC(CN)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-13(10-15)9-14(18)16-7-8-17(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyGUKDHPQLGCYYQZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide (CID 81070103) is 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide is CCC(CN)CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The InChIKey is GUKDHPQLGCYYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-13(10-15)9-14(18)16-7-8-17(11(2)3)12(4)5/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide is sourced from PubChem (CID 81070103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).