N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide

C7H18N4O2 — CID 91413354

IUPACN-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide
SMILESCC(CO)N(N=O)NCCCCN
InChIInChI=1S/C7H18N4O2/c1-7(6-12)11(10-13)9-5-3-2-4-8/h7,9,12H,2-6,8H2,1H3
InChIKeyFQFZMEJFJHCUJM-UHFFFAOYSA-N
MW190.25 g/mol
LogP-0.41
Rot. Bonds8

About N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide

N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide (PubChem CID 91413354) has the molecular formula C7H18N4O2 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide.

Molecular Properties

Compound NameN-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide
PubChem CID91413354
Molecular FormulaC7H18N4O2
Molecular Weight190.25 g/mol
Exact Mass190.14
IUPAC NameN-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide
SMILESCC(CO)N(N=O)NCCCCN
InChIInChI=1S/C7H18N4O2/c1-7(6-12)11(10-13)9-5-3-2-4-8/h7,9,12H,2-6,8H2,1H3
InChIKeyFQFZMEJFJHCUJM-UHFFFAOYSA-N
XLogP-0.41
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
butane-1,4-diamine;methanesulfonic acid
CID 160759082
3-(2,2-diethylhydrazinyl)propan-1-amine
CID 55290275
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
ethanol;octane-1,8-diamine
CID 159247635
butan-1-amine;propan-2-ol
CID 174667581
(2S)-6-amino-2-(methylamino)hexan-1-ol
CID 59831454
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N-(3-aminopropyl)-N-methylnitrous amide
CID 169444802
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide?
The IUPAC name of N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide (CID 91413354) is N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide.
What is the SMILES notation for N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide?
The canonical SMILES for N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide is CC(CO)N(N=O)NCCCCN.
What is the InChIKey of N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide?
The InChIKey is FQFZMEJFJHCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2/c1-7(6-12)11(10-13)9-5-3-2-4-8/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide?
N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide has a molecular weight of 190.25 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutylamino)-N-(1-hydroxypropan-2-yl)nitrous amide is sourced from PubChem (CID 91413354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).