N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate

C15H31NO2 — CID 146373089

IUPACN,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CC(C)N(C(C)C)C(C)C
InChIInChI=1S/C9H21N.C6H10O2/c1-7(2)10(8(3)4)9(5)6;1-3-5-8-6(7)4-2/h7-9H,1-6H3;4H,2-3,5H2,1H3
InChIKeyVGOGULMMIADEFZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.64
Rot. Bonds6

About N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate

N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate (PubChem CID 146373089) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate.

Molecular Properties

Compound NameN,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
PubChem CID146373089
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CC(C)N(C(C)C)C(C)C
InChIInChI=1S/C9H21N.C6H10O2/c1-7(2)10(8(3)4)9(5)6;1-3-5-8-6(7)4-2/h7-9H,1-6H3;4H,2-3,5H2,1H3
InChIKeyVGOGULMMIADEFZ-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
carbamic acid;propyl prop-2-enoate
CID 87571569
ethenoxyethene;propyl prop-2-enoate
CID 174744389
N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
CID 87758243
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
(3-methyl-3-prop-2-enoyloxybutan-2-yl) prop-2-enoate;propyl prop-2-enoate
CID 159133201
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate?
The IUPAC name of N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate (CID 146373089) is N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate.
What is the SMILES notation for N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate?
The canonical SMILES for N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate is C=CC(=O)OCCC.CC(C)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate?
The InChIKey is VGOGULMMIADEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C6H10O2/c1-7(2)10(8(3)4)9(5)6;1-3-5-8-6(7)4-2/h7-9H,1-6H3;4H,2-3,5H2,1H3.
What are the key properties of N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate?
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate has a molecular weight of 257.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate is sourced from PubChem (CID 146373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).