N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide

C10H18N2 — CID 123417471

IUPACN-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
SMILESCC=CC=C(CC)N(C)/C=N/C
InChIInChI=1S/C10H18N2/c1-5-7-8-10(6-2)12(4)9-11-3/h5,7-9H,6H2,1-4H3/b7-5?,10-8?,11-9+
InChIKeyULEKHBGIOJXURK-QRKXXVSHSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds4

About N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide

N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide (PubChem CID 123417471) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
PubChem CID123417471
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
SMILESCC=CC=C(CC)N(C)/C=N/C
InChIInChI=1S/C10H18N2/c1-5-7-8-10(6-2)12(4)9-11-3/h5,7-9H,6H2,1-4H3/b7-5?,10-8?,11-9+
InChIKeyULEKHBGIOJXURK-QRKXXVSHSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
2-Cyclopenta-1,3-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212598
2-Cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212599
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
Hepta-3,5-dien-3-yl-methyl-methylideneazanium
CID 123341973
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
N-methyl-N,N'-bis[(2E)-penta-2,4-dien-2-yl]methanimidamide
CID 135264626
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
(8E)-7-but-3-enylidene-8-ethylidene-3,6-dimethyl-4,5-dihydro-1,3,6-triazocine;ethane
CID 141790713
(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine
CID 143071601

Frequently Asked Questions

What is the IUPAC name of N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide?
The IUPAC name of N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide (CID 123417471) is N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide is CC=CC=C(CC)N(C)/C=N/C.
What is the InChIKey of N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide?
The InChIKey is ULEKHBGIOJXURK-QRKXXVSHSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-8-10(6-2)12(4)9-11-3/h5,7-9H,6H2,1-4H3/b7-5?,10-8?,11-9+.
What are the key properties of N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide?
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 123417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).