butyl N-amino-N-(6-aminohexanoyl)carbamate

C11H23N3O3 — CID 87896509

IUPACbutyl N-amino-N-(6-aminohexanoyl)carbamate
SMILESCCCCOC(=O)N(N)C(=O)CCCCCN
InChIInChI=1S/C11H23N3O3/c1-2-3-9-17-11(16)14(13)10(15)7-5-4-6-8-12/h2-9,12-13H2,1H3
InChIKeyZGBXQPSJGSQOMV-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.14
Rot. Bonds8

About butyl N-amino-N-(6-aminohexanoyl)carbamate

butyl N-amino-N-(6-aminohexanoyl)carbamate (PubChem CID 87896509) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is butyl N-amino-N-(6-aminohexanoyl)carbamate.

Molecular Properties

Compound Namebutyl N-amino-N-(6-aminohexanoyl)carbamate
PubChem CID87896509
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Namebutyl N-amino-N-(6-aminohexanoyl)carbamate
SMILESCCCCOC(=O)N(N)C(=O)CCCCCN
InChIInChI=1S/C11H23N3O3/c1-2-3-9-17-11(16)14(13)10(15)7-5-4-6-8-12/h2-9,12-13H2,1H3
InChIKeyZGBXQPSJGSQOMV-UHFFFAOYSA-N
XLogP1.14
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 7-aminoheptanoate
CID 20502898
pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl octadecanoate
CID 57169146
4-aminobutyl decanoate
CID 57039982
pentan-1-amine;pentyl N,N-bis(sulfanyl)carbamate
CID 174271508
hexadecan-1-amine;propan-2-one
CID 175396285
octan-1-amine;octanoate
CID 23330056
butyl N-amino-N-ethylcarbamate
CID 87167247
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620

Frequently Asked Questions

What is the IUPAC name of butyl N-amino-N-(6-aminohexanoyl)carbamate?
The IUPAC name of butyl N-amino-N-(6-aminohexanoyl)carbamate (CID 87896509) is butyl N-amino-N-(6-aminohexanoyl)carbamate.
What is the SMILES notation for butyl N-amino-N-(6-aminohexanoyl)carbamate?
The canonical SMILES for butyl N-amino-N-(6-aminohexanoyl)carbamate is CCCCOC(=O)N(N)C(=O)CCCCCN.
What is the InChIKey of butyl N-amino-N-(6-aminohexanoyl)carbamate?
The InChIKey is ZGBXQPSJGSQOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-2-3-9-17-11(16)14(13)10(15)7-5-4-6-8-12/h2-9,12-13H2,1H3.
What are the key properties of butyl N-amino-N-(6-aminohexanoyl)carbamate?
butyl N-amino-N-(6-aminohexanoyl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-amino-N-(6-aminohexanoyl)carbamate is sourced from PubChem (CID 87896509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).