N-butyl-5-methylidene-N,3-dipropylazepin-2-amine

C17H28N2 — CID 142121128

IUPACN-butyl-5-methylidene-N,3-dipropylazepin-2-amine
SMILESC=C1C=CN=C(N(CCC)CCCC)C(CCC)=C1
InChIInChI=1S/C17H28N2/c1-5-8-13-19(12-7-3)17-16(9-6-2)14-15(4)10-11-18-17/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyBCGIHYNMFIPALW-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.71
Rot. Bonds7

About N-butyl-5-methylidene-N,3-dipropylazepin-2-amine

N-butyl-5-methylidene-N,3-dipropylazepin-2-amine (PubChem CID 142121128) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-butyl-5-methylidene-N,3-dipropylazepin-2-amine.

Molecular Properties

Compound NameN-butyl-5-methylidene-N,3-dipropylazepin-2-amine
PubChem CID142121128
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-butyl-5-methylidene-N,3-dipropylazepin-2-amine
SMILESC=C1C=CN=C(N(CCC)CCCC)C(CCC)=C1
InChIInChI=1S/C17H28N2/c1-5-8-13-19(12-7-3)17-16(9-6-2)14-15(4)10-11-18-17/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyBCGIHYNMFIPALW-UHFFFAOYSA-N
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-butyl)-N,N-diethyl-3H-azepin-2-amine
CID 4192093
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine
CID 14147486
N,N-diethyl-3,4-dimethyl-3H-azepin-2-amine
CID 85790493
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
N,N,3-triethyl-3H-azepin-2-amine
CID 85790497
N,N-diethyl-4-azabicyclo[5.2.0]nona-1(7),3,5-trien-3-amine
CID 85844542
N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine
CID 134989531
N,N-diethyl-4,5-dimethyl-3H-azepin-2-amine
CID 172418769
5-butyl-N,N-diethyl-3H-azepin-2-amine
CID 10421037
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methylidene-N,3-dipropylazepin-2-amine?
The IUPAC name of N-butyl-5-methylidene-N,3-dipropylazepin-2-amine (CID 142121128) is N-butyl-5-methylidene-N,3-dipropylazepin-2-amine.
What is the SMILES notation for N-butyl-5-methylidene-N,3-dipropylazepin-2-amine?
The canonical SMILES for N-butyl-5-methylidene-N,3-dipropylazepin-2-amine is C=C1C=CN=C(N(CCC)CCCC)C(CCC)=C1.
What is the InChIKey of N-butyl-5-methylidene-N,3-dipropylazepin-2-amine?
The InChIKey is BCGIHYNMFIPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-13-19(12-7-3)17-16(9-6-2)14-15(4)10-11-18-17/h10-11,14H,4-9,12-13H2,1-3H3.
What are the key properties of N-butyl-5-methylidene-N,3-dipropylazepin-2-amine?
N-butyl-5-methylidene-N,3-dipropylazepin-2-amine has a molecular weight of 260.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methylidene-N,3-dipropylazepin-2-amine is sourced from PubChem (CID 142121128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).