N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride

C16H33ClN2O3 — CID 173494842

IUPACN-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.C=CC(N)=O.CCCCCNCCCCC.Cl
InChIInChI=1S/C10H23N.C3H5NO.C3H4O2.ClH/c1-3-5-7-9-11-10-8-6-4-2;2*1-2-3(4)5;/h11H,3-10H2,1-2H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5);1H
InChIKeyKRPRDTXWULXZRM-UHFFFAOYSA-N
MW336.90 g/mol
LogP3.29
Rot. Bonds10

About N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride

N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride (PubChem CID 173494842) has the molecular formula C16H33ClN2O3 and a molecular weight of 336.90 g/mol. Its IUPAC name is N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride.

Molecular Properties

Compound NameN-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
PubChem CID173494842
Molecular FormulaC16H33ClN2O3
Molecular Weight336.90 g/mol
Exact Mass336.22
IUPAC NameN-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.C=CC(N)=O.CCCCCNCCCCC.Cl
InChIInChI=1S/C10H23N.C3H5NO.C3H4O2.ClH/c1-3-5-7-9-11-10-8-6-4-2;2*1-2-3(4)5;/h11H,3-10H2,1-2H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5);1H
InChIKeyKRPRDTXWULXZRM-UHFFFAOYSA-N
XLogP3.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.90
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethylbutan-1-amine;prop-2-enamide
CID 158418621
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
pentane;prop-2-enamide
CID 139391622
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 174906754
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
dodecan-1-amine;prop-2-enoic acid
CID 87328751
octadecan-1-amine;prop-2-enoic acid
CID 10427444
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
decan-1-amine;prop-2-enamide
CID 162009588

Frequently Asked Questions

What is the IUPAC name of N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The IUPAC name of N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride (CID 173494842) is N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride.
What is the SMILES notation for N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The canonical SMILES for N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride is C=CC(=O)O.C=CC(N)=O.CCCCCNCCCCC.Cl.
What is the InChIKey of N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The InChIKey is KRPRDTXWULXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H5NO.C3H4O2.ClH/c1-3-5-7-9-11-10-8-6-4-2;2*1-2-3(4)5;/h11H,3-10H2,1-2H3;2H,1H2,(H2,4,5);2H,1H2,(H,4,5);1H.
What are the key properties of N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride has a molecular weight of 336.90 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 173494842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).