N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline

C14H20IN — CID 137446405

IUPACN-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\c1c(C)cc(N(C)I)cc1C(C)C
InChIInChI=1S/C14H20IN/c1-6-7-13-11(4)8-12(16(5)15)9-14(13)10(2)3/h6-10H,1-5H3/b7-6-
InChIKeyROSBQGRKZBWDEQ-SREVYHEPSA-N
MW329.23 g/mol
LogP4.94
Rot. Bonds3

About N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline

N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline (PubChem CID 137446405) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline
PubChem CID137446405
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\c1c(C)cc(N(C)I)cc1C(C)C
InChIInChI=1S/C14H20IN/c1-6-7-13-11(4)8-12(16(5)15)9-14(13)10(2)3/h6-10H,1-5H3/b7-6-
InChIKeyROSBQGRKZBWDEQ-SREVYHEPSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(Z)-4-methylpent-1-enyl]-3,5-di(propan-2-yl)benzene
CID 159400113
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
CID 168983927
1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 166055872
2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene
CID 91017213
1-methylsulfonyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]benzene
CID 89302853
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997
7-fluoro-4-methyl-5-propan-2-yl-2,3-dihydro-1H-indene
CID 156857587
ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 145089984
N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine
CID 167019947
2-ethenyl-1-methoxy-4-propan-2-yl-3-[(Z)-prop-1-enyl]benzene
CID 145207355

Frequently Asked Questions

What is the IUPAC name of N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline?
The IUPAC name of N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline (CID 137446405) is N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline.
What is the SMILES notation for N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline?
The canonical SMILES for N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline is C/C=C\c1c(C)cc(N(C)I)cc1C(C)C.
What is the InChIKey of N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline?
The InChIKey is ROSBQGRKZBWDEQ-SREVYHEPSA-N. The full InChI is InChI=1S/C14H20IN/c1-6-7-13-11(4)8-12(16(5)15)9-14(13)10(2)3/h6-10H,1-5H3/b7-6-.
What are the key properties of N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline?
N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline has a molecular weight of 329.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline is sourced from PubChem (CID 137446405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).