5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine

C10H22INO — CID 107320059

IUPAC5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
SMILESCOCCC(C)NCCCCCI
InChIInChI=1S/C10H22INO/c1-10(6-9-13-2)12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3
InChIKeyBGWNTVFVPYUBGW-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.61
Rot. Bonds9

About 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine

5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine (PubChem CID 107320059) has the molecular formula C10H22INO and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
PubChem CID107320059
Molecular FormulaC10H22INO
Molecular Weight299.20 g/mol
Exact Mass299.07
IUPAC Name5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
SMILESCOCCC(C)NCCCCCI
InChIInChI=1S/C10H22INO/c1-10(6-9-13-2)12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3
InChIKeyBGWNTVFVPYUBGW-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
6-iodo-N-(2-methoxyethyl)hexan-1-amine
CID 107844777
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine?
The IUPAC name of 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine (CID 107320059) is 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine.
What is the SMILES notation for 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine?
The canonical SMILES for 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine is COCCC(C)NCCCCCI.
What is the InChIKey of 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine?
The InChIKey is BGWNTVFVPYUBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INO/c1-10(6-9-13-2)12-8-5-3-4-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine?
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine has a molecular weight of 299.20 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine is sourced from PubChem (CID 107320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).