3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine

C19H34N2 — CID 79057538

IUPAC3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCCc1ccccc1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-6-16-20-18(19(3,7-2)21(4)5)15-11-14-17-12-9-8-10-13-17/h8-10,12-13,18,20H,6-7,11,14-16H2,1-5H3
InChIKeyUWJSCKUWNPDJDX-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.11
Rot. Bonds10

About 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine

3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine (PubChem CID 79057538) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
PubChem CID79057538
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCCc1ccccc1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-6-16-20-18(19(3,7-2)21(4)5)15-11-14-17-12-9-8-10-13-17/h8-10,12-13,18,20H,6-7,11,14-16H2,1-5H3
InChIKeyUWJSCKUWNPDJDX-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
N,N-diethyl-4-hydrazinyl-3-methyl-7-phenylheptan-3-amine
CID 105240772
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
6-phenyl-N-propylhexan-2-amine
CID 61485022
5-methoxy-1-phenyl-N-propyloctan-4-amine
CID 116719481
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
CID 82922453
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine (CID 79057538) is 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine is CCCNC(CCCc1ccccc1)C(C)(CC)N(C)C.
What is the InChIKey of 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine?
The InChIKey is UWJSCKUWNPDJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-16-20-18(19(3,7-2)21(4)5)15-11-14-17-12-9-8-10-13-17/h8-10,12-13,18,20H,6-7,11,14-16H2,1-5H3.
What are the key properties of 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine?
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine is sourced from PubChem (CID 79057538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).