[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate

C11H25N3O2 — CID 175180105

IUPAC[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
SMILESCC(C)(CCCCNCCCN)OC(N)=O
InChIInChI=1S/C11H25N3O2/c1-11(2,16-10(13)15)6-3-4-8-14-9-5-7-12/h14H,3-9,12H2,1-2H3,(H2,13,15)
InChIKeyFZXYIMKXXKKRQQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.97
Rot. Bonds9

About [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate

[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate (PubChem CID 175180105) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
PubChem CID175180105
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
SMILESCC(C)(CCCCNCCCN)OC(N)=O
InChIInChI=1S/C11H25N3O2/c1-11(2,16-10(13)15)6-3-4-8-14-9-5-7-12/h14H,3-9,12H2,1-2H3,(H2,13,15)
InChIKeyFZXYIMKXXKKRQQ-UHFFFAOYSA-N
XLogP0.97
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
4-(3-aminopropylamino)butyl carbamate
CID 175431367
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(2-aminoethyl)ethane-1,2-diamine;1,1-dihydroxypropyl carbamate
CID 19868755
ditert-butyl 2-amino-2-[3-[6-(4-aminobutylamino)hexylamino]propyl]propanedioate
CID 19360445
tert-butyl 14-(3-aminopropylamino)-5-oxotetradecanoate
CID 58260359
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-[13-(3-aminopropylamino)-4-oxotridecyl]carbamate
CID 58260342
N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine
CID 175179221
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716

Frequently Asked Questions

What is the IUPAC name of [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate?
The IUPAC name of [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate (CID 175180105) is [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate.
What is the SMILES notation for [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate?
The canonical SMILES for [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate is CC(C)(CCCCNCCCN)OC(N)=O.
What is the InChIKey of [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate?
The InChIKey is FZXYIMKXXKKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(2,16-10(13)15)6-3-4-8-14-9-5-7-12/h14H,3-9,12H2,1-2H3,(H2,13,15).
What are the key properties of [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate?
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate has a molecular weight of 231.34 g/mol, XLogP of 0.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate is sourced from PubChem (CID 175180105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).