N-butyl-6-iodohex-1-en-2-amine

C10H20IN — CID 163677123

IUPACN-butyl-6-iodohex-1-en-2-amine
SMILESC=C(CCCCI)NCCCC
InChIInChI=1S/C10H20IN/c1-3-4-9-12-10(2)7-5-6-8-11/h12H,2-9H2,1H3
InChIKeyJHPWOWDZPWBHPX-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.50
Rot. Bonds8

About N-butyl-6-iodohex-1-en-2-amine

N-butyl-6-iodohex-1-en-2-amine (PubChem CID 163677123) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is N-butyl-6-iodohex-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-6-iodohex-1-en-2-amine
PubChem CID163677123
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC NameN-butyl-6-iodohex-1-en-2-amine
SMILESC=C(CCCCI)NCCCC
InChIInChI=1S/C10H20IN/c1-3-4-9-12-10(2)7-5-6-8-11/h12H,2-9H2,1H3
InChIKeyJHPWOWDZPWBHPX-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-iodohex-1-en-2-amine?
The IUPAC name of N-butyl-6-iodohex-1-en-2-amine (CID 163677123) is N-butyl-6-iodohex-1-en-2-amine.
What is the SMILES notation for N-butyl-6-iodohex-1-en-2-amine?
The canonical SMILES for N-butyl-6-iodohex-1-en-2-amine is C=C(CCCCI)NCCCC.
What is the InChIKey of N-butyl-6-iodohex-1-en-2-amine?
The InChIKey is JHPWOWDZPWBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-3-4-9-12-10(2)7-5-6-8-11/h12H,2-9H2,1H3.
What are the key properties of N-butyl-6-iodohex-1-en-2-amine?
N-butyl-6-iodohex-1-en-2-amine has a molecular weight of 281.18 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-iodohex-1-en-2-amine is sourced from PubChem (CID 163677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).