N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid

C10H17NO3 — CID 173029925

IUPACN,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
SMILESC=CCN(CC=C)CC=C.O=C(O)O
InChIInChI=1S/C9H15N.CH2O3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H,1-3,7-9H2;(H2,2,3,4)
InChIKeyATGZFJCPQXCWNT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.07
Rot. Bonds6

About N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid

N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid (PubChem CID 173029925) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
PubChem CID173029925
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
SMILESC=CCN(CC=C)CC=C.O=C(O)O
InChIInChI=1S/C9H15N.CH2O3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H,1-3,7-9H2;(H2,2,3,4)
InChIKeyATGZFJCPQXCWNT-UHFFFAOYSA-N
XLogP2.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900
4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
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CID 87084309
CID 87084309
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
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methyl (E)-4-[[(E)-4-methoxy-4-oxobut-2-enyl]-prop-2-enylamino]but-2-enoate
CID 11448154
iron(2+);prop-2-enoic acid
CID 10290804
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
3-[3-(diethylamino)propyl-prop-2-enylamino]-2-methylpropanoic acid
CID 82328033
[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid?
The IUPAC name of N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid (CID 173029925) is N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid.
What is the SMILES notation for N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid?
The canonical SMILES for N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid is C=CCN(CC=C)CC=C.O=C(O)O.
What is the InChIKey of N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid?
The InChIKey is ATGZFJCPQXCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.CH2O3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H,1-3,7-9H2;(H2,2,3,4).
What are the key properties of N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid?
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid has a molecular weight of 199.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid is sourced from PubChem (CID 173029925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).