N,N-dideuteriohexan-1-amine

C6H15N — CID 101274313

IUPACN,N-dideuteriohexan-1-amine
SMILES[2H]N([2H])CCCCCC
InChIInChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3/i/hD2
InChIKeyBMVXCPBXGZKUPN-ZSJDYOACSA-N
MW103.21 g/mol
LogP1.53
Rot. Bonds5

About N,N-dideuteriohexan-1-amine

N,N-dideuteriohexan-1-amine (PubChem CID 101274313) has the molecular formula C6H15N and a molecular weight of 103.21 g/mol. Its IUPAC name is N,N-dideuteriohexan-1-amine.

Molecular Properties

Compound NameN,N-dideuteriohexan-1-amine
PubChem CID101274313
Molecular FormulaC6H15N
Molecular Weight103.21 g/mol
Exact Mass103.13
IUPAC NameN,N-dideuteriohexan-1-amine
SMILES[2H]N([2H])CCCCCC
InChIInChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3/i/hD2
InChIKeyBMVXCPBXGZKUPN-ZSJDYOACSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of N,N-dideuteriohexan-1-amine?
The IUPAC name of N,N-dideuteriohexan-1-amine (CID 101274313) is N,N-dideuteriohexan-1-amine.
What is the SMILES notation for N,N-dideuteriohexan-1-amine?
The canonical SMILES for N,N-dideuteriohexan-1-amine is [2H]N([2H])CCCCCC.
What is the InChIKey of N,N-dideuteriohexan-1-amine?
The InChIKey is BMVXCPBXGZKUPN-ZSJDYOACSA-N. The full InChI is InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3/i/hD2.
What are the key properties of N,N-dideuteriohexan-1-amine?
N,N-dideuteriohexan-1-amine has a molecular weight of 103.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuteriohexan-1-amine is sourced from PubChem (CID 101274313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).