amino N-(6-aminohexyl)carbamate

C7H17N3O2 — CID 174870719

IUPACamino N-(6-aminohexyl)carbamate
SMILESNCCCCCCNC(=O)ON
InChIInChI=1S/C7H17N3O2/c8-5-3-1-2-4-6-10-7(11)12-9/h1-6,8-9H2,(H,10,11)
InChIKeyAZMQDKIGXQNLSM-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.11
Rot. Bonds6

About amino N-(6-aminohexyl)carbamate

amino N-(6-aminohexyl)carbamate (PubChem CID 174870719) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is amino N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Nameamino N-(6-aminohexyl)carbamate
PubChem CID174870719
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Nameamino N-(6-aminohexyl)carbamate
SMILESNCCCCCCNC(=O)ON
InChIInChI=1S/C7H17N3O2/c8-5-3-1-2-4-6-10-7(11)12-9/h1-6,8-9H2,(H,10,11)
InChIKeyAZMQDKIGXQNLSM-UHFFFAOYSA-N
XLogP0.11
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino N-pentylcarbamate
CID 87397923
N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
CID 161491440
2-(6-aminohexylcarbamoyloxy)ethyl formate
CID 163268438
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
2-bromoacetic acid;tert-butyl N-(6-aminohexyl)carbamate
CID 87525773

Frequently Asked Questions

What is the IUPAC name of amino N-(6-aminohexyl)carbamate?
The IUPAC name of amino N-(6-aminohexyl)carbamate (CID 174870719) is amino N-(6-aminohexyl)carbamate.
What is the SMILES notation for amino N-(6-aminohexyl)carbamate?
The canonical SMILES for amino N-(6-aminohexyl)carbamate is NCCCCCCNC(=O)ON.
What is the InChIKey of amino N-(6-aminohexyl)carbamate?
The InChIKey is AZMQDKIGXQNLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c8-5-3-1-2-4-6-10-7(11)12-9/h1-6,8-9H2,(H,10,11).
What are the key properties of amino N-(6-aminohexyl)carbamate?
amino N-(6-aminohexyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(6-aminohexyl)carbamate is sourced from PubChem (CID 174870719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).