carbamic acid;hexan-1-amine

C7H18N2O2 — CID 158177123

IUPACcarbamic acid;hexan-1-amine
SMILESCCCCCCN.NC(=O)O
InChIInChI=1S/C6H15N.CH3NO2/c1-2-3-4-5-6-7;2-1(3)4/h2-7H2,1H3;2H2,(H,3,4)
InChIKeyFYDCWIOAQDNHSY-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.15
Rot. Bonds4

About carbamic acid;hexan-1-amine

carbamic acid;hexan-1-amine (PubChem CID 158177123) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is carbamic acid;hexan-1-amine.

Molecular Properties

Compound Namecarbamic acid;hexan-1-amine
PubChem CID158177123
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Namecarbamic acid;hexan-1-amine
SMILESCCCCCCN.NC(=O)O
InChIInChI=1S/C6H15N.CH3NO2/c1-2-3-4-5-6-7;2-1(3)4/h2-7H2,1H3;2H2,(H,3,4)
InChIKeyFYDCWIOAQDNHSY-UHFFFAOYSA-N
XLogP1.15
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
acetamide;decan-1-amine
CID 160911015
octan-1-amine;propanoic acid
CID 87949597
hexadecan-1-amine;propan-2-one
CID 175396285
dodecan-1-amine;guanidine
CID 172680887
pentan-1-amine;tetradecanoic acid
CID 174809000
decan-1-amine;dodecanoic acid
CID 173305256
hexadecanoic acid;pentan-1-amine
CID 161401164
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246

Frequently Asked Questions

What is the IUPAC name of carbamic acid;hexan-1-amine?
The IUPAC name of carbamic acid;hexan-1-amine (CID 158177123) is carbamic acid;hexan-1-amine.
What is the SMILES notation for carbamic acid;hexan-1-amine?
The canonical SMILES for carbamic acid;hexan-1-amine is CCCCCCN.NC(=O)O.
What is the InChIKey of carbamic acid;hexan-1-amine?
The InChIKey is FYDCWIOAQDNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH3NO2/c1-2-3-4-5-6-7;2-1(3)4/h2-7H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;hexan-1-amine?
carbamic acid;hexan-1-amine has a molecular weight of 162.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;hexan-1-amine is sourced from PubChem (CID 158177123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).